PDB entry 7dq6

View 7dq6 on RCSB PDB site
Description: Crystal structure of HitB in complex with (S)-beta-3-Br-phenylalanine sulfamoyladenosine
Class: ligase
Keywords: Hitachimycin, Polyketide biosynthesis, ATP binding, Adenylation, LIGASE
Deposited on 2020-12-22, released 2021-03-03
The last revision prior to the SCOPe 2.08 freeze date was dated 2021-03-31, with a file datestamp of 2021-03-26.
Experiment type: XRAY
Resolution: 2.6 Å
R-factor: N/A
AEROSPACI score: 0.25 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Putative ATP-dependent b-aminoacyl-ACP synthetase
    Species: Embleya scabrispora [TaxId:159449]
    Gene: hitB
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d7dq6a_
  • Chain 'B':
    Compound: Putative ATP-dependent b-aminoacyl-ACP synthetase
    Species: Embleya scabrispora [TaxId:159449]
    Gene: hitB
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d7dq6b_
  • Heterogens: HFR, CA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >7dq6A (A:)
mnhkvhhhhhhiegrhmrvisngrraararesvdnlywfmlaaansapdtpafvtrdgeg
gvrtlsyrelrtrvddfaaalaelgldvddrvvleanvtpdavamllacsllglpfipvs
petpsgrlrsildtaepalfaqaedggradvpatvgtarfgagglrveraprarvrhrre
ivgtdtayiiftsgttgrpkgvvmshrsvvslyraileqglitpedriattsplqfdfal
fdiglalgtgaalvpvpreelnwprrflaflgdtgatqvhgvpsiwrpvlrhepellagl
drvrgilftgedfplpelrhlqgllpharivngygatesmacsftevprpipsdlerlsi
gfplpgfdvslldehgrpveeigvagqihlrapsmfsgywddpeatarvlvsdpldprsg
rtvlrsgdlayrgedgelyfagrvdaqvqirgnrvepgeverrllefpgisaavallvpr
pgndpvlhafvvvepggadfdkakarafcadtlpgymipanivavddipltvngkvdrad
latrvagpf

    Sequence, based on observed residues (ATOM records): (download) 
    >7dq6A (A:)
raararesvdnlywfmlaaansapdtpafvtrgvrtlsyrelrtrvddfaaalaelgldv
ddrvvleanvtpdavamllacsllglpfipvspetpsgrlrsildtaepalfaqaedggr
advpatvgtarfgagglrveraprarvrhrreivgtdtayiiftpkgvvmshrsvvslyr
aileqglitpedriattsplqfdfalfdiglalgtgaalvpvpreelnwprrflaflgdt
gatqvhgvpsiwrpvlrhepellagldrvrgilftgedfplpelrhlqgllpharivngy
gatesmacsftevprpipsdlerlsigfplpgfdvslldehgrpveeigvagqihlraps
mfsgywddpeatarvlvsdpldprsgrtvlrsgdlayrgedgelyfagrvdaqvverrll
efpgisaavalllhafvvvanivavddipltvngkvdradlatr

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >7dq6B (B:)
mnhkvhhhhhhiegrhmrvisngrraararesvdnlywfmlaaansapdtpafvtrdgeg
gvrtlsyrelrtrvddfaaalaelgldvddrvvleanvtpdavamllacsllglpfipvs
petpsgrlrsildtaepalfaqaedggradvpatvgtarfgagglrveraprarvrhrre
ivgtdtayiiftsgttgrpkgvvmshrsvvslyraileqglitpedriattsplqfdfal
fdiglalgtgaalvpvpreelnwprrflaflgdtgatqvhgvpsiwrpvlrhepellagl
drvrgilftgedfplpelrhlqgllpharivngygatesmacsftevprpipsdlerlsi
gfplpgfdvslldehgrpveeigvagqihlrapsmfsgywddpeatarvlvsdpldprsg
rtvlrsgdlayrgedgelyfagrvdaqvqirgnrvepgeverrllefpgisaavallvpr
pgndpvlhafvvvepggadfdkakarafcadtlpgymipanivavddipltvngkvdrad
latrvagpf

    Sequence, based on observed residues (ATOM records): (download) 
    >7dq6B (B:)
raararesvdnlywfmlaaansapdtpafvtrgvrtlsyrelrtrvddfaaalaelgldv
ddrvvleanvtpdavamllacsllglpfipvspetpsgrlrsildtaepalfaqaedggr
advpatvgtarfgagglrveraprarvrhrreivgtdtayiiftsgttgrpkgvvmshrs
vvslyraileqglitpedriattsplqfdfalfdiglalgtgaalvpvpreelnwprrfl
aflgdtgatqvhgvpsiwrpvlrhepellagldrvrgilftgedfplpelrhlqgllpha
rivngygatesmacsftevprpipsdlerlsigfplpgfdvslldehgrpveeigvagqi
hlrapsmfsgywddpeatarvlvsdpldprsgrtvlrsgdlayrgedgelyfagrvdava
llvprdpvlhafpaniipltvngkvdradlatr